Geometry & MOs

Info

ID:	123710
PubChem CID:	50859572
Reduced:	ClFON2C20H22 (1)
Stoich.:	ABCD2E20F22 (1)
Weight, g/mol:	425.167018
ΔH_f, kcal/mol:	-60.47
Dipole, Da:	8.39
IP(EA), eV:	-8.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)C=NC3=C(C=C(C=C3)Cl)O)C)(C)C

DOS

IR

Vibrations